General Information of the Compound
| Compound ID |
CP0480173
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| Compound Name |
[3-(dimethylamino)-4-methoxyphenyl]-[(2'R,4S)-7-methoxy-2'-methylspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl]methanone
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
COc1ccc-2c(N[C@]3(CCN([C@H](C)C3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
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| InChI |
InChI=1S/C27H32N4O3/c1-18-17-27(25-7-6-13-31(25)22-10-9-20(33-4)16-21(22)28-27)12-14-30(18)26(32)19-8-11-24(34-5)23(15-19)29(2)3/h6-11,13,15-16,18,28H,12,14,17H2,1-5H3/t18-,27+/m1/s1
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| InChIKey |
RQBDEZKHPSZTQC-CLYVBNDRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha